B6TJ7W -OEChem-04012118012D 40 42 0 0 0 0 0 0 0999 V2000 8.1282 2.6264 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.7872 -2.4723 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6474 -2.9823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2772 -3.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2972 -1.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 -0.4324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.0814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 2.6369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2067 -0.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9270 -1.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0784 -0.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1951 -1.9423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9386 -0.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0553 -2.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 -0.7361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0856 0.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6546 -2.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4791 -0.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0481 -3.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.6022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.6022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6402 -3.6022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 19 1 0 0 0 0 3 16 1 0 0 0 0 3 25 1 0 0 0 0 4 18 1 0 0 0 0 4 26 1 0 0 0 0 5 40 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 28 1 0 0 0 0 9 12 2 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 10 24 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 13 17 2 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 21 23 2 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 25 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 M END $$$$